oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate

C14H19NO4 — CID 61308131

IUPACoxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate
SMILESNc1ccc(OCCC(=O)OCC2CCCO2)cc1
InChIInChI=1S/C14H19NO4/c15-11-3-5-12(6-4-11)18-9-7-14(16)19-10-13-2-1-8-17-13/h3-6,13H,1-2,7-10,15H2
InChIKeyQTSCYJTZMQWBJR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.76
Rot. Bonds6

About oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate

oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate (PubChem CID 61308131) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate
PubChem CID61308131
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameoxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate
SMILESNc1ccc(OCCC(=O)OCC2CCCO2)cc1
InChIInChI=1S/C14H19NO4/c15-11-3-5-12(6-4-11)18-9-7-14(16)19-10-13-2-1-8-17-13/h3-6,13H,1-2,7-10,15H2
InChIKeyQTSCYJTZMQWBJR-UHFFFAOYSA-N
XLogP1.76
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxan-2-ylmethyl 4-phenoxybutanoate
CID 78788814
oxolan-3-ylmethyl 3-(4-aminophenoxy)propanoate
CID 61316757
(5,5-dimethyloxolan-2-yl)methyl 3-(4-aminophenoxy)propanoate
CID 116523238
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
2-cyclobutylethyl 3-(4-aminophenoxy)propanoate
CID 106203637
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline
CID 61431012
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
oxan-2-ylmethyl 2-(4-bromophenoxy)acetate
CID 78769379

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate?
The IUPAC name of oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate (CID 61308131) is oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate.
What is the SMILES notation for oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate?
The canonical SMILES for oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate is Nc1ccc(OCCC(=O)OCC2CCCO2)cc1.
What is the InChIKey of oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate?
The InChIKey is QTSCYJTZMQWBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c15-11-3-5-12(6-4-11)18-9-7-14(16)19-10-13-2-1-8-17-13/h3-6,13H,1-2,7-10,15H2.
What are the key properties of oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate?
oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate has a molecular weight of 265.31 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 3-(4-aminophenoxy)propanoate is sourced from PubChem (CID 61308131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).